Dear Setyanto,
The MolSpace program makes uses of the "sasa measure" command form VMD to
calculate the surface.
Best regards
Joćo Ribeiro
On Wed, Mar 7, 2012 at 8:51 AM, setyanto md <stwahyudi.md.gmail.com> wrote:
> Thanks Dr. Bruni Luis this is so useful.
>
> May I ask about this method and also LCPO method.
>
> What is the algortihm used by MOLSPACE and LCPO
>
> Thank you
> Setyanto
>
> 2012/3/6 Bruno Luķs Pinto de Oliveira <boliveira.itn.pt>
>
> > Dear John
> >
> > You can look at Molspace (
> > http://compbiochem.org/Software/molspace/Home.html ).
> > This VMD plug-in can compute the residues surface and cavities volume.
> >
> > Best regards
> >
> >
> .....................................................................................................................................................
> > Bruno L. Oliveira
> > Radiopharmaceutical Sciences Group
> > Chemistry Department , ITN
> > http://www.itn.pt/sec/qui/qir/uk_qir_index.htm
> > http://www.boliveira.com
> >
> > ________________________________________
> > De: Beale, John [John.Beale.stlcop.edu]
> > Enviado: terēa-feira, 6 de Marēo de 2012 11:08
> > Para: amber.ambermd.org
> > Assunto: [AMBER] SASA Plot
> >
> > I need to compute and plot the SASA on a per-residue basis for my
> peptide.
> > Can someone provide me with a method for doing this?
> >
> > Thanks!
> >
> > John
> >
> > John M. Beale, Jr., Ph.D.
> > Professor of Medicinal Chemistry and Pharmacognosy
> > Saint Louis College of Pharmacy
> > Department of Neurology, Washington University School of Medicine
> > Office: 314-446-8461
> > Cell: 314-315-0409
> > FAX: 314-446-8460
> > John.Beale.stlcop.edu<mailto:John.Beale.stlcop.edu>
> > bealej.neuro.wustl.edu<mailto:bealej.neuro.wustl.edu>
> >
> >
> >
> >
> >
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> > http://lists.ambermd.org/mailman/listinfo/amber
> >
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Received on Wed Mar 07 2012 - 02:30:02 PST
